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Compound Detail

CHEMBL5202633

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CC(=O)N(C)c1cc(C(F)(F)F)cnc1Nc1nc(-c2cc(C(C)C)ccn2)ns1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202633
Phase Preclinical
Structure Type MOL
InChI Key PCOWCPCURHCSSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
4.86
ALogP
7
HBA
1
HBD
83.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N6OS
MW 436.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.69

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Onchocerca gutturosa
CHEMBL613143
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Onchocerca gutturosa EC50 = 10.0 nM 8.0 Anti-filarial activity against Onchocerca gutturosa adult worms assessed as redu... 35972896

Literature References

PubMed DOI Target Context # Activities
35972896 10.1021/acs.jmedchem.2c00960 No relevant target 2
35972896 10.1021/acs.jmedchem.2c00960 ADMET 2
35972896 10.1021/acs.jmedchem.2c00960 Onchocerca gutturosa 1

Data from ChEMBL 36 via Core Engine